3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide

C21H32N4O — CID 68754065

IUPAC3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCc1cnc2c(CC(C)(C)C)c(NC(=O)CCC3CCCCC3)nn2c1
InChIInChI=1S/C21H32N4O/c1-15-13-22-20-17(12-21(2,3)4)19(24-25(20)14-15)23-18(26)11-10-16-8-6-5-7-9-16/h13-14,16H,5-12H2,1-4H3,(H,23,24,26)
InChIKeyLKGHPJPXBNDEJB-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.93
Rot. Bonds5

About 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide

3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 68754065) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID68754065
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCc1cnc2c(CC(C)(C)C)c(NC(=O)CCC3CCCCC3)nn2c1
InChIInChI=1S/C21H32N4O/c1-15-13-22-20-17(12-21(2,3)4)19(24-25(20)14-15)23-18(26)11-10-16-8-6-5-7-9-16/h13-14,16H,5-12H2,1-4H3,(H,23,24,26)
InChIKeyLKGHPJPXBNDEJB-UHFFFAOYSA-N
XLogP4.93
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 68754065) is 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide is Cc1cnc2c(CC(C)(C)C)c(NC(=O)CCC3CCCCC3)nn2c1.
What is the InChIKey of 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is LKGHPJPXBNDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-15-13-22-20-17(12-21(2,3)4)19(24-25(20)14-15)23-18(26)11-10-16-8-6-5-7-9-16/h13-14,16H,5-12H2,1-4H3,(H,23,24,26).
What are the key properties of 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 356.51 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(2,2-dimethylpropyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 68754065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).